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Zhou, Yong, Zhang, Dong H. (2014) Eight-dimensional quantum reaction rate calculations for the H+CH4 and H2+CH3 reactions on recent potential energy surfaces. The Journal of Chemical Physics, 141 (19). 194307pp. doi:10.1063/1.4902005

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Reference TypeJournal (article/letter/editorial)
TitleEight-dimensional quantum reaction rate calculations for the H+CH4 and H2+CH3 reactions on recent potential energy surfaces
JournalThe Journal of Chemical Physics
AuthorsZhou, YongAuthor
Zhang, Dong H.Author
Year2014 (November 21)Volume141
Issue19
PublisherAIP Publishing
DOIdoi:10.1063/1.4902005Search in ResearchGate
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Mindat Ref. ID2372813Long-form Identifiermindat:1:5:2372813:6
GUID0
Full ReferenceZhou, Yong, Zhang, Dong H. (2014) Eight-dimensional quantum reaction rate calculations for the H+CH4 and H2+CH3 reactions on recent potential energy surfaces. The Journal of Chemical Physics, 141 (19). 194307pp. doi:10.1063/1.4902005
Plain TextZhou, Yong, Zhang, Dong H. (2014) Eight-dimensional quantum reaction rate calculations for the H+CH4 and H2+CH3 reactions on recent potential energy surfaces. The Journal of Chemical Physics, 141 (19). 194307pp. doi:10.1063/1.4902005
In(2014, November) The Journal of Chemical Physics Vol. 141 (19) AIP Publishing

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Zhou, Yong, Fu, Bina, Wang, Chunrui, Collins, Michael A., Zhang, Dong H. (2011) Ab initio potential energy surface and quantum dynamics for the H + CH4 → H2 + CH3 reaction. The Journal of Chemical Physics, 134 (6). 64323pp. doi:10.1063/1.3552088
Wu, Tao, Werner, Hans-Joachim, Manthe, Uwe (2006) Accurate potential energy surface and quantum reaction rate calculations for the H+CH4→H2+CH3 reaction. The Journal of Chemical Physics, 124 (16). 164307pp. doi:10.1063/1.2189223
Meng, Qingyong, Chen, Jun, Zhang, Dong H. (2015) Communication: Rate coefficients of the H + CH4 → H2 + CH3 reaction from ring polymer molecular dynamics on a highly accurate potential energy surface. The Journal of Chemical Physics, 143 (10). 101102pp. doi:10.1063/1.4930860
Wu, Tao, Manthe, Uwe (2003) A potential energy surface construction scheme for accurate reaction rate calculations: General approach and a test for the H+CH4→H2+CH3 reaction. The Journal of Chemical Physics, 119 (1). 14-23 doi:10.1063/1.1577328
Yu, Hua-Gen, Nyman, Gunnar (1999) Four-dimensional quantum scattering calculations on the H+CH4→H2+CH3 reaction. The Journal of Chemical Physics, 111 (8). 3508-3516 doi:10.1063/1.479634
Welsch, Ralph, Manthe, Uwe (2014) Communication: Ro-vibrational control of chemical reactivity in H+CH4→ H2+CH3 : Full-dimensional quantum dynamics calculations and a sudden model. The Journal of Chemical Physics, 141 (5). 51102pp. doi:10.1063/1.4891917
Schiffel, Gerd, Manthe, Uwe, Nyman, Gunnar (2010) Full-Dimensional Quantum Reaction Rate Calculations for H + CH4→ H2+ CH3on a Recent Potential Energy Surface†. The Journal of Physical Chemistry A, 114 (36). 9617-9622 doi:10.1021/jp911880u
Schiffel, Gerd, Manthe, Uwe (2010) Quantum dynamics of the H+CH4→H2+CH3 reaction in curvilinear coordinates: Full-dimensional and reduced dimensional calculations of reaction rates. The Journal of Chemical Physics, 132 (8). 84103pp. doi:10.1063/1.3304920
Liu, Tianhui, Fu, Bina, Zhang, Dong H. (2014) Validity of the site-averaging approximation for modeling the dissociative chemisorption of H2 on Cu(111) surface: A quantum dynamics study on two potential energy surfaces. The Journal of Chemical Physics, 141 (19). 194302pp. doi:10.1063/1.4901894
Takayanagi, Toshiyuki (1996) Reduced dimensionality calculations of quantum reactive scattering for the H+CH4→H2+CH3 reaction. The Journal of Chemical Physics, 104 (6). 2237-2242 doi:10.1063/1.470920
Liu, Shu, Chen, Jun, Zhang, Zhaojun, Zhang, Dong H. (2013) Communication: A six-dimensional state-to-state quantum dynamics study of the H + CH4 → H2 + CH3 reaction (J = 0). The Journal of Chemical Physics, 138 (1). 11101pp. doi:10.1063/1.4774116
 
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